CID 11071

Amisometradine

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CC(=C)CN1C(=CC(=O)N(C1=O)C)N
InChI
InChI=1S/C9H13N3O2/c1-6(2)5-12-7(10)4-8(13)11(3)9(12)14/h4H,1,5,10H2,2-3H3
InChIKey
FXNYSZHYMGWWEZ-UHFFFAOYSA-N
Compound name
6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

710
Patents

195.10077 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.108046 140.2
[M+Na]+ 218.089988 151.1
[M-H]- 194.093494 141.9
[M+NH4]+ 213.134593 157.3
[M+K]+ 234.063928 148.2
[M+H-H2O]+ 178.098030 133.4
[M+HCOO]- 240.098971 162.6
[M+CH3COO]- 254.114621 188.2
[M+Na-2H]- 216.075436 143.7
[M]+ 195.10022142 141.1
[M]- 195.10131858 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe